General Information of the Compound
| Compound ID |
CP0493895
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| Compound Name |
2-ethyl-1'-(1H-indazole-5-carbonyl)-3-methylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one
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| Structure |
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| Formula |
C21H23N5O3
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| Molecular Weight |
393.447
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| Canonical SMILES |
CCn1nc2c(OC3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)CC2=O)c1C
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| InChI |
InChI=1S/C21H23N5O3/c1-3-26-13(2)19-18(24-26)17(27)11-21(29-19)6-8-25(9-7-21)20(28)14-4-5-16-15(10-14)12-22-23-16/h4-5,10,12H,3,6-9,11H2,1-2H3,(H,22,23)
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| InChIKey |
PIJARKRHEJFSCX-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound